methyl N-(octylcarbamoyl)-N-(prop-1-ynylsulfanylcarbamoyl)carbamimidate

Systemtic Name: methyl N-(octylcarbamoyl)-N-(prop-1-ynylsulfanylcarbamoyl)carbamimidate Openeye Name: 1-(methoxycarbonimidoyl)-1-(octylcarbamoyl)-3-prop-1-ynylsulfanyl-urea CAS Name: N-[(octylamino)-oxomethyl]-N-[oxo-[(prop-1-ynylthio)amino]methyl]carbamimidic acid methyl ester IUPAC Name: methyl N-(octylcarbamoyl)-N-(prop-1-ynylsulfanylcarbamoyl)carbamimidate Traditional Name: 1-(methoxycarbonimidoyl)-1-(octylcarbamoyl)-3-(prop-1-ynylthio)urea Formula: C15H26N4O3S MolecularWeight: 342.45694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)N(C(=N)OC)C(=O)NSC#CC

Isomeric SMILES

CCCCCCCCNC(=O)N(C(=N)OC)C(=O)NSC#CC

InChI

InChI=1S/C15H26N4O3S/c1-4-6-7-8-9-10-11-17-14(20)19(13(16)22-3)15(21)18-23-12-5-2/h16H,4,6-11H2,1-3H3,(H,17,20)(H,18,21)